3-hydroxy-6-methyl-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(1-propan-2-ylpyrazol-4-yl)propyl]pyran-4-one

C19H25N3O5 — CID 97426182

IUPAC3-hydroxy-6-methyl-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(1-propan-2-ylpyrazol-4-yl)propyl]pyran-4-one
SMILESCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2cnn(C(C)C)c2)o1
InChIInChI=1S/C19H25N3O5/c1-12(2)22-11-14(10-20-22)15(9-17(24)21-4-6-26-7-5-21)19-18(25)16(23)8-13(3)27-19/h8,10-12,15,25H,4-7,9H2,1-3H3/t15-/m0/s1
InChIKeyFFTLLCNWHUHRNF-HNNXBMFYSA-N
MW375.43 g/mol
LogP1.81
Rot. Bonds5

About 3-hydroxy-6-methyl-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(1-propan-2-ylpyrazol-4-yl)propyl]pyran-4-one

3-hydroxy-6-methyl-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(1-propan-2-ylpyrazol-4-yl)propyl]pyran-4-one (PubChem CID 97426182) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(1-propan-2-ylpyrazol-4-yl)propyl]pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(1-propan-2-ylpyrazol-4-yl)propyl]pyran-4-one
PubChem CID97426182
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name3-hydroxy-6-methyl-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(1-propan-2-ylpyrazol-4-yl)propyl]pyran-4-one
SMILESCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2cnn(C(C)C)c2)o1
InChIInChI=1S/C19H25N3O5/c1-12(2)22-11-14(10-20-22)15(9-17(24)21-4-6-26-7-5-21)19-18(25)16(23)8-13(3)27-19/h8,10-12,15,25H,4-7,9H2,1-3H3/t15-/m0/s1
InChIKeyFFTLLCNWHUHRNF-HNNXBMFYSA-N
XLogP1.81
TPSA97.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-hydroxy-6-methyl-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(1-propan-2-ylpyrazol-4-yl)propyl]pyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-6-methyl-2-[(1S)-1-(1-methylpyrazol-4-yl)-3-morpholin-4-yl-3-oxopropyl]pyran-4-one
CID 97425826
3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 86207489
3-[(1S)-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-morpholin-4-yl-3-oxopropyl]-1-methylquinolin-2-one
CID 97423712
3-hydroxy-6-methyl-2-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one
CID 75489267
3-hydroxy-2-[(1R)-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-6-(methoxymethyl)pyran-4-one
CID 97487886
3-hydroxy-6-(methoxymethyl)-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]pyran-4-one
CID 97488738
2-[(1R)-1-(3,4-difluorophenyl)-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-(methoxymethyl)pyran-4-one
CID 97496983
3-hydroxy-6-(methoxymethyl)-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one
CID 75490617
methyl (3R)-3-[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-hydroxy-4-oxopyran-2-yl]-3-(1-propan-2-ylpyrazol-4-yl)propanoate
CID 125123255
3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 135640522
ethyl (3R)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-3-(1-methylpyrazol-4-yl)propanoate
CID 95792126
3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-pyridin-4-ylpropanamide
CID 91636907

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(1-propan-2-ylpyrazol-4-yl)propyl]pyran-4-one?
The IUPAC name of 3-hydroxy-6-methyl-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(1-propan-2-ylpyrazol-4-yl)propyl]pyran-4-one (CID 97426182) is 3-hydroxy-6-methyl-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(1-propan-2-ylpyrazol-4-yl)propyl]pyran-4-one.
What is the SMILES notation for 3-hydroxy-6-methyl-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(1-propan-2-ylpyrazol-4-yl)propyl]pyran-4-one?
The canonical SMILES for 3-hydroxy-6-methyl-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(1-propan-2-ylpyrazol-4-yl)propyl]pyran-4-one is Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2cnn(C(C)C)c2)o1.
What is the InChIKey of 3-hydroxy-6-methyl-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(1-propan-2-ylpyrazol-4-yl)propyl]pyran-4-one?
The InChIKey is FFTLLCNWHUHRNF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-12(2)22-11-14(10-20-22)15(9-17(24)21-4-6-26-7-5-21)19-18(25)16(23)8-13(3)27-19/h8,10-12,15,25H,4-7,9H2,1-3H3/t15-/m0/s1.
What are the key properties of 3-hydroxy-6-methyl-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(1-propan-2-ylpyrazol-4-yl)propyl]pyran-4-one?
3-hydroxy-6-methyl-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(1-propan-2-ylpyrazol-4-yl)propyl]pyran-4-one has a molecular weight of 375.43 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(1-propan-2-ylpyrazol-4-yl)propyl]pyran-4-one is sourced from PubChem (CID 97426182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).